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@@ -20,16 +20,18 @@ python setup.py install
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* miniconda/anaconda
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If `pkaani_env.yaml` is not used, users should make sure the following packages are installed.
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* python >=3.6
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* python=3.8
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* numpy
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* scipy
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* pytorch
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* torchani
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* torchani=2.2.0
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* scikit-learn=1.0.2
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* ase
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* joblib
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* numpy,scipy
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* ambertools
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* sklearn (version 1.0.2)
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* setuptools=58.2.0
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Other libraries: os,math,sys,io,csv,getopt,shutil,urllib.request,warnings,setuptools(version=58.2.0)
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Other libraries the system may require : os,math,sys,io,csv,getopt,shutil,urllib.request,warnings
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## **USAGE**
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